8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine

C8H9BrN4 — CID 12916113

IUPAC8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(C)nc2c(Br)cnn12
InChIInChI=1S/C8H9BrN4/c1-3-7-11-5(2)12-8-6(9)4-10-13(7)8/h4H,3H2,1-2H3
InChIKeyCRMHYDRYRZRXIX-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.76
Rot. Bonds1

About 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine

8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916113) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916113
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(C)nc2c(Br)cnn12
InChIInChI=1S/C8H9BrN4/c1-3-7-11-5(2)12-8-6(9)4-10-13(7)8/h4H,3H2,1-2H3
InChIKeyCRMHYDRYRZRXIX-UHFFFAOYSA-N
XLogP1.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine (CID 12916113) is 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine is CCc1nc(C)nc2c(Br)cnn12.
What is the InChIKey of 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is CRMHYDRYRZRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-3-7-11-5(2)12-8-6(9)4-10-13(7)8/h4H,3H2,1-2H3.
What are the key properties of 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine?
8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 241.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).